Check the "real posres(..." routine in src/gmxlib/bondfree.c
Jochen
Jae Hyun Park wrote:
Dear GROMACS users,
I would like to modify the source code on the position restraint part
(restraining the atoms in a protein using -DPOSRES). Could anybody let me know
where (or which subroutine) I can do it?
Best,
Jae H. Park
=======================================
Jae Hyun Park, Ph.D.
Research Scientist
3215 Beckamn Institute
University of Illinois at Urbana-Champaign
405 North Mathews Avenue
Urbana, IL 61801
(Tel) 217-244-4353, (FAX) 217-244-4333
(E-mail) [EMAIL PROTECTED]
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--
************************************************
Dr. Jochen Hub
Max Planck Institute for Biophysical Chemistry
Computational biomolecular dynamics group
Am Fassberg 11
D-37077 Goettingen, Germany
Email: jhub[at]gwdg.de
Tel.: +49 (0)551 201-2312
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